Tri-n-octyl trimellitate

CAS Registry Number®

89-04-3
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CAS Name

Tri-n-octyl trimellitate

Molecular Formula

C33H54O6

Molecular Mass

546.78

Cite this Page

Tri-n-octyl trimellitate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89-04-3 (retrieved 2024-07-06) (CAS RN: 89-04-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H54O6/c1-4-7-10-13-16-19-24-37-31(34)28-22-23-29(32(35)38-25-20-17-14-11-8-5-2)30(27-28)33(36)39-26-21-18-15-12-9-6-3/h22-23,27H,4-21,24-26H2,1-3H3

InChIKey

InChIKey=JNXDCMUUZNIWPQ-UHFFFAOYSA-N

SMILES

C(OCCCCCCCC)(=O)C1=C(C(OCCCCCCCC)=O)C=CC(C(OCCCCCCCC)=O)=C1

Canonical SMILES

O=C(OCCCCCCCC)C1=CC=C(C(=O)OCCCCCCCC)C(=C1)C(=O)OCCCCCCCC

Other Names for this Substance

  • 1,2,4-Benzenetricarboxylic acid, 1,2,4-trioctyl ester
  • 1,2,4-Benzenetricarboxylic acid, trioctyl ester
  • Trimellitic acid, trioctyl ester
  • PX 338
  • Trioctyl trimellitate

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Deleted or Replaced CAS Registry Numbers

39373-94-9, 76929-92-5, 82249-09-0